4534-3954 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-3-nitro-1-benzenesulfonamide

4534-3954 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-3-nitro-1-benzenesulfonamide
4534-3954 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-3-nitro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4534-3954
N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-3-nitro-1-benzenesulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

4534-3954

Molecular Formula

C19H14N2O6S (C19 H14 N2 O6 S)

Compound Name

N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-3-nitro-1-benzenesulfonamide

IUPAC name

N-{4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl}-3-nitrobenzene-1-sulfonamide

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NS(c1cc([N+]([O-])=O)ccc1)(=O)=O

InChI

InChI=1S/C19H14N2O6S/c1-26-19-10-15-14-7-2-3-8-17(14)27-18(15)11-16(19)20-28(24,25)13-6-4-5-12(9-13)21(22)23/h2-11,20H,1H3

InChI Key

WHOXLURNHKROCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00495483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.556

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-4.50

Polar Surface Area

89.117

Acid Dissociation Constant (pKa)

6.29

Base Dissociation Constant (pKb)

-10.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

4534-3954 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4534-3954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4534-3954?
Check Price and Availability of 4534-3954, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4534-3954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4534-3954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4534-3954
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 4534-3954 available by request